BDBM224605 US10202383, Example 2(217)::US9321791, 2(217)::US9556175, 2(217)

SMILES: CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(-c4ccccc4)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1

InChI Key: InChIKey=AGHLCJIFCYXCNC-OAQYLSRUSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 224605   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM224605 (US10202383, Example 2(217) | US9321791, 2(217) | U...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(-c4ccccc4)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C30H30N8O2/c1-3-4-17-37-26-27(34-29(37)36-16-10-13-21(31)18-36)35(2)30(40)38(28(26)39)19-24-32-23-15-9-8-14-22(23)25(33-24)20-11-6-5-7-12-20/h5-9,11-12,14-15,21H,10,13,16-19,31H2,1-2H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates. 20 ...				US Patent US9321791 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WNR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM224605 (US10202383, Example 2(217) | US9321791, 2(217) | U...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(-c4ccccc4)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C30H30N8O2/c1-3-4-17-37-26-27(34-29(37)36-16-10-13-21(31)18-36)35(2)30(40)38(28(26)39)19-24-32-23-15-9-8-14-22(23)25(33-24)20-11-6-5-7-12-20/h5-9,11-12,14-15,21H,10,13,16-19,31H2,1-2H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates....				US Patent US10202383 (2019) BindingDB Entry DOI: 10.7270/Q2P55QNN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM224605 (US10202383, Example 2(217) | US9321791, 2(217) | U...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(-c4ccccc4)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C30H30N8O2/c1-3-4-17-37-26-27(34-29(37)36-16-10-13-21(31)18-36)35(2)30(40)38(28(26)39)19-24-32-23-15-9-8-14-22(23)25(33-24)20-11-6-5-7-12-20/h5-9,11-12,14-15,21H,10,13,16-19,31H2,1-2H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description 50 μl substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, were placed in black microtitre plates....				US Patent US9556175 (2017) BindingDB Entry DOI: 10.7270/Q2Z03B5T
					More data for this Ligand-Target Pair